(E)-3-(3,4-dichlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]prop-2-enehydrazide

C16H16Cl2N4O2 — CID 40724091

IUPAC(E)-3-(3,4-dichlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]prop-2-enehydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H16Cl2N4O2/c1-10-7-11(2)22(21-10)9-16(24)20-19-15(23)6-4-12-3-5-13(17)14(18)8-12/h3-8H,9H2,1-2H3,(H,19,23)(H,20,24)/b6-4+
InChIKeyGKAREUONVRNWOR-GQCTYLIASA-N
MW367.24 g/mol
LogP2.67
Rot. Bonds4

About (E)-3-(3,4-dichlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]prop-2-enehydrazide

(E)-3-(3,4-dichlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]prop-2-enehydrazide (PubChem CID 40724091) has the molecular formula C16H16Cl2N4O2 and a molecular weight of 367.24 g/mol. Its IUPAC name is (E)-3-(3,4-dichlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(3,4-dichlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]prop-2-enehydrazide
PubChem CID40724091
Molecular FormulaC16H16Cl2N4O2
Molecular Weight367.24 g/mol
Exact Mass366.07
IUPAC Name(E)-3-(3,4-dichlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]prop-2-enehydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H16Cl2N4O2/c1-10-7-11(2)22(21-10)9-16(24)20-19-15(23)6-4-12-3-5-13(17)14(18)8-12/h3-8H,9H2,1-2H3,(H,19,23)(H,20,24)/b6-4+
InChIKeyGKAREUONVRNWOR-GQCTYLIASA-N
XLogP2.67
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylprop-2-enehydrazide
CID 40724083
3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 26613962
2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-methylsulfanylbenzohydrazide
CID 26614007
1-(4-chlorophenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea
CID 8786332
3-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide
CID 34390205
1-(3-chloro-4-fluorophenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea
CID 8786354
1-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 9088610
4-tert-butyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 9416710
N'-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanehydrazide
CID 9410443
1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-ethylthiourea
CID 4290547
(E)-3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]prop-2-enoic acid
CID 109375502
N-(3,5-dichloro-2-hydroxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 103891137

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dichlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]prop-2-enehydrazide?
The IUPAC name of (E)-3-(3,4-dichlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]prop-2-enehydrazide (CID 40724091) is (E)-3-(3,4-dichlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(3,4-dichlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]prop-2-enehydrazide?
The canonical SMILES for (E)-3-(3,4-dichlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]prop-2-enehydrazide is Cc1cc(C)n(CC(=O)NNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of (E)-3-(3,4-dichlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]prop-2-enehydrazide?
The InChIKey is GKAREUONVRNWOR-GQCTYLIASA-N. The full InChI is InChI=1S/C16H16Cl2N4O2/c1-10-7-11(2)22(21-10)9-16(24)20-19-15(23)6-4-12-3-5-13(17)14(18)8-12/h3-8H,9H2,1-2H3,(H,19,23)(H,20,24)/b6-4+.
What are the key properties of (E)-3-(3,4-dichlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]prop-2-enehydrazide?
(E)-3-(3,4-dichlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]prop-2-enehydrazide has a molecular weight of 367.24 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dichlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]prop-2-enehydrazide is sourced from PubChem (CID 40724091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).